N'-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-3-nitrobenzohydrazide

Formula:C16H12N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-3-nitrobenzohydrazide is a drug-like molecule.

MolName	N'-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-3-nitrobenzohydrazide
MolecularFormula	C16H12N3O4Br
Smiles	[O-][N+](c1cccc(C(NN/C=C/C(c(cc2)ccc2Br)=O)=O)c1)=O
InChI	InChI=1S/C16H12BrN3O4/c17-13-6-4-11(5-7-13)15(21)8-9-18-19-16(22)12-2-1-3-14(10-12)20(23)24/h1-10,18H,(H,19,22)
InChIK	FJDFCUXXAPAZCB-UHFFFAOYSA-N
TotalMolweight	390.192
Molweight	390.192
MonoisotopicMass	389.001118
CLogP	1.0886
CLogS	-5.262
H Acceptors	7
H Donors	2
TotalSurfaceArea	260.24
Relative PSA	0.30518
PolarSurfaceArea	104.02
Druglikeness	-4.2939
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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